Monomers
Ethyl 2-chloroacrylate
Identifiers
IUPAC name
ethyl 2-chloroprop-2-enoate
InchI
InChI=1S/C5H7ClO2/c1-3-8-5(7)4(2)6/h2-3H2,1H3
InchI Key
CVUNPKSKGHPMSY-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=C)Cl
Canonical SMILES
CCOC(=O)C(=C)Cl
Isomeric SMILES
CCOC(=O)C(=C)Cl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H7ClO2
Heavy Atom Count
8
Molecular Weight
134.562
Exact Molecular Weight
134.0135
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.302
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
-2.3439 -0.2909 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5473 0.7316 -0.9603 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2500 0.9250 -0.4962 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7488 0.0036 -0.4223 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4902 -1.1592 -0.8125 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0935 0.2743 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9809 -0.7032 0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5467 1.8788 0.6465 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7255 0.0829 0.7684 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7971 -1.2439 -0.0978 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2433 -0.5270 -0.8284 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6189 0.5026 -2.0433 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0860 1.7126 -0.8363 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9642 -0.4782 0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7876 -1.7091 -0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
6 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers